Compound Detail
CHEMBL1722838
XANTHOANGELOL F Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1722838 |
| Name | XANTHOANGELOL F |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBFSDEKOTLYPJU-SXZUIPJJSA-N |
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
6.24
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.47
EC50 1 meas. best 4.82
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 4.82 | 4.82 | 15200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.47 | 4.47 | 34100.0 | 1 |
| Neuraminidase CHEMBL1795169 | IC50 | 4.07 | 4.07 | 85900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 15200.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
| Unchecked | IC50 | = | 34100.0 | nM | 4.47 | Inhibition of SARS-CoV 3C-like protease (9970 to 10887 residues) expressed in Es... | 32810751 |
| Neuraminidase | IC50 | = | 85900.0 | nM | 4.07 | Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neur... | 21824777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21824777 | 10.1016/j.bmcl.2011.06.130 | Neuraminidase | 2 |
| 25891102 | 10.1016/j.bmcl.2015.04.003 | Tyrosine-protein phosphatase non-receptor type 1 | 2 |
| 30388007 | 10.1021/acs.jmedchem.8b01012 | Unchecked | 1 |
| 32810751 | 10.1016/j.ejmech.2020.112711 | Unchecked | 1 |
| 31877539 | 10.1016/j.ejmech.2019.111980 | Bacillus subtilis | 1 |
| 31877539 | 10.1016/j.ejmech.2019.111980 | Staphylococcus epidermidis | 1 |
| 31877539 | 10.1016/j.ejmech.2019.111980 | Micrococcus luteus | 1 |
Data from ChEMBL 36 via Core Engine